UCSF

ZINC37794737

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 8.44 -63.76 1 4 -1 69 262.329 3
Lo Low (pH 4.5-6) 2.54 5.51 -13.01 2 4 0 66 263.337 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )